Tetranitrophenolsulfonphthalein - ≥80%(HPLC) , CAS No.57564-54-2

CAS: 57564-54-2 Cat. No.: T162655 Molecular Weight: 534.36 EC Number: 678-495-3 PubChem CID: 6453505
AVAILABLE TO ORDER
GRADE & PURITY ≥80%(HPLC)
Synonyms
Tetranitrophenolsulfonphthalein|57564-54-2|Phenol, 4,4'-(3H-2,1-benzoxathiol-3-ylidene)bis(2,6-dinitro-, S,S-dioxide|4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2,6-dinitrophenol|2.3-Diamino-5-bromopyridine|SCHEMBL11450412|D
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
T162655-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$207.90

$242.90
Save $35.00 (14.41%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥80%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Tetranitrophenolsulfonphthalein | 57564-54-2 | Phenol, 4, 4'-(3H-2, 1-benzoxathiol-3-ylidene)bis(2, 6-dinitro-, S, S-dioxide | 4-[3-(4-hydroxy-3, 5-dinitrophenyl)-1, 1-dioxo-2, 1lambda6-benzoxathiol-3-yl]-2, 6-dinitrophenol | 2.3-Diamino-5-bromopyridine | SCHEMBL11450412 | D
Specifications & Purity
≥80%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥80%(HPLC)
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-]
IUPAC Name4-[3-(4-hydroxy-3,5-dinitrophenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-2,6-dinitrophenol
InChIKeyWFYIJZCRINGEDV-UHFFFAOYSA-N
INCHI1S/C19H10N4O13S/c24-17-12(20(26)27)5-9(6-13(17)21(28)29)19(11-3-1-2-4-16(11)37(34,35)36-19)10-7-14(22(30)31)18(25)15(8-10)23(32)33/h1-8,24-25H
Isomeric SMILES C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC(=C(C(=C3)[N+](=O)[O-])O)[N+](=O)[O-])C4=CC(=C(C(=C4)[N+](=O)[O-])O)[N+](=O)[O-]
PubChem CID 6453505
Molecular Weight 534.36

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassPhenols
SubclassNitrophenols
Intermediate Tree Nodes Not available
Direct ParentDinitrophenols
Alternative Parents Benzofuranones  Phthalides  Benzoxathioles  Nitrobenzenes  Nitroaromatic compounds  Organosulfonic acid esters  Organic oxoazanium compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Organonitrogen compounds  Organic salts  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  Organooxygen compounds  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dinitrophenol - Benzofuranone - Phthalide - Benzoxathiole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Organosulfonic acid ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight534.400 g/mol
XLogP33.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count2
Exact Mass533.997 Da
Monoisotopic Mass533.997 Da
Topological Polar Surface Area275.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity956.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.